N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylacetamide

C20H20N2O3 — CID 669854

IUPACN-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H20N2O3/c1-14(2)21(12-15-8-4-3-5-9-15)18(23)13-22-19(24)16-10-6-7-11-17(16)20(22)25/h3-11,14H,12-13H2,1-2H3
InChIKeyQXDKEVPMNFLNRR-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.72
Rot. Bonds5

About N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylacetamide

N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylacetamide (PubChem CID 669854) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylacetamide
PubChem CID669854
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H20N2O3/c1-14(2)21(12-15-8-4-3-5-9-15)18(23)13-22-19(24)16-10-6-7-11-17(16)20(22)25/h3-11,14H,12-13H2,1-2H3
InChIKeyQXDKEVPMNFLNRR-UHFFFAOYSA-N
XLogP2.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylacetamide (CID 669854) is N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylacetamide?
The InChIKey is QXDKEVPMNFLNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14(2)21(12-15-8-4-3-5-9-15)18(23)13-22-19(24)16-10-6-7-11-17(16)20(22)25/h3-11,14H,12-13H2,1-2H3.
What are the key properties of N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylacetamide?
N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylacetamide has a molecular weight of 336.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 669854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).